Geometry & MOs

Info

ID:	185713
PubChem CID:	77336008
Reduced:	NPSiO8C37H53 (1)
Stoich.:	ABCD8E37F53 (1)
Weight, g/mol:	498.205576
ΔH_f, kcal/mol:	-371.12
Dipole, Da:	7.21
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.757870
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-methoxyphenyl)ethenyl]-6-[2-[2-(4-methoxyphenyl)ethenyl]-3H-benzimidazol-5-yl]-1H-benzimidazole

Drug info:

PubChemData

Smile

CCCC[Si]1(OCC2=C(O1)C=CC(=C2)OCC(CNCCC3=CC=C(C=C3)OCC(CCOCC4=CC=CC=C4)[P+](=O)O)O)CCCC

DOS

IR

Vibrations